N-[[(3R,3aS,6aS)-5-(5-fluoropyrimidin-2-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyridine-4-carboxamide

C17H18FN5O2 — CID 124780733

IUPACN-[[(3R,3aS,6aS)-5-(5-fluoropyrimidin-2-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyridine-4-carboxamide
SMILESO=C(NC[C@@H]1CO[C@@H]2CN(c3ncc(F)cn3)C[C@H]12)c1ccncc1
InChIInChI=1S/C17H18FN5O2/c18-13-6-21-17(22-7-13)23-8-14-12(10-25-15(14)9-23)5-20-16(24)11-1-3-19-4-2-11/h1-4,6-7,12,14-15H,5,8-10H2,(H,20,24)/t12-,14-,15-/m1/s1
InChIKeyRBHDGGITLXNDFD-BPLDGKMQSA-N
MW343.36 g/mol
LogP0.89
Rot. Bonds4

About N-[[(3R,3aS,6aS)-5-(5-fluoropyrimidin-2-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyridine-4-carboxamide

N-[[(3R,3aS,6aS)-5-(5-fluoropyrimidin-2-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyridine-4-carboxamide (PubChem CID 124780733) has the molecular formula C17H18FN5O2 and a molecular weight of 343.36 g/mol. Its IUPAC name is N-[[(3R,3aS,6aS)-5-(5-fluoropyrimidin-2-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[[(3R,3aS,6aS)-5-(5-fluoropyrimidin-2-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyridine-4-carboxamide
PubChem CID124780733
Molecular FormulaC17H18FN5O2
Molecular Weight343.36 g/mol
Exact Mass343.14
IUPAC NameN-[[(3R,3aS,6aS)-5-(5-fluoropyrimidin-2-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyridine-4-carboxamide
SMILESO=C(NC[C@@H]1CO[C@@H]2CN(c3ncc(F)cn3)C[C@H]12)c1ccncc1
InChIInChI=1S/C17H18FN5O2/c18-13-6-21-17(22-7-13)23-8-14-12(10-25-15(14)9-23)5-20-16(24)11-1-3-19-4-2-11/h1-4,6-7,12,14-15H,5,8-10H2,(H,20,24)/t12-,14-,15-/m1/s1
InChIKeyRBHDGGITLXNDFD-BPLDGKMQSA-N
XLogP0.89
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.36
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[(3R,3aS,6aS)-5-(5-fluoropyrimidin-2-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyridine-4-carboxamide with MolForge

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Related Compounds

US10906888, Example 10
CID 141746038
N-[(4aS,8R,8aS)-6-pyrimidin-2-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]pyridine-4-carboxamide
CID 97364562
(2S,3aS,6aS)-N-(pyridin-3-ylmethyl)-4-pyrimidin-2-yl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-2-carboxamide
CID 97387174
(2S,3aS,6aS)-4-(5-fluoropyrimidin-2-yl)-N-(pyridin-3-ylmethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-2-carboxamide
CID 97461075
[(5aR,9aS)-4-pyrimidin-2-yl-2,3,5,5a,6,7,9,9a-octahydropyrido[4,3-f][1,4]oxazepin-8-yl]-(3-fluoro-4-pyridinyl)methanone
CID 97511499
(2S,3aS,7aR)-6-(5-fluoropyrimidin-2-yl)-N-(pyridin-3-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
CID 98811082
3-fluoro-N-[(8-{[1-(2-pyrimidinyl)-1H-pyrrol-2-yl]methyl}-1-oxa-8-azaspiro[4.5]dec-2-yl)methyl]benzamide
CID 45183539
(1R,5S,6S)-3-(5-fluoropyrimidin-2-yl)-N-(pyridin-3-ylmethyl)-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide
CID 97514518
(3aS,6aS)-5-(5-fluoropyrimidin-2-yl)-N-(pyridin-3-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide
CID 124781480
N-[[(3aS,6aR)-5-(5-fluoropyrimidin-2-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]pyridine-3-carboxamide
CID 125240223
2-[(3aR,6aR)-5-(5-fluoropyrimidin-2-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 125245937
N-((1r,4r)-4-((5-fluoropyrimidin-2-yl)oxy)cyclohexyl)isonicotinamide
CID 91626392

Frequently Asked Questions

What is the IUPAC name of N-[[(3R,3aS,6aS)-5-(5-fluoropyrimidin-2-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyridine-4-carboxamide?
The IUPAC name of N-[[(3R,3aS,6aS)-5-(5-fluoropyrimidin-2-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyridine-4-carboxamide (CID 124780733) is N-[[(3R,3aS,6aS)-5-(5-fluoropyrimidin-2-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[[(3R,3aS,6aS)-5-(5-fluoropyrimidin-2-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyridine-4-carboxamide?
The canonical SMILES for N-[[(3R,3aS,6aS)-5-(5-fluoropyrimidin-2-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyridine-4-carboxamide is O=C(NC[C@@H]1CO[C@@H]2CN(c3ncc(F)cn3)C[C@H]12)c1ccncc1.
What is the InChIKey of N-[[(3R,3aS,6aS)-5-(5-fluoropyrimidin-2-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyridine-4-carboxamide?
The InChIKey is RBHDGGITLXNDFD-BPLDGKMQSA-N. The full InChI is InChI=1S/C17H18FN5O2/c18-13-6-21-17(22-7-13)23-8-14-12(10-25-15(14)9-23)5-20-16(24)11-1-3-19-4-2-11/h1-4,6-7,12,14-15H,5,8-10H2,(H,20,24)/t12-,14-,15-/m1/s1.
What are the key properties of N-[[(3R,3aS,6aS)-5-(5-fluoropyrimidin-2-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyridine-4-carboxamide?
N-[[(3R,3aS,6aS)-5-(5-fluoropyrimidin-2-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyridine-4-carboxamide has a molecular weight of 343.36 g/mol, XLogP of 0.89, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R,3aS,6aS)-5-(5-fluoropyrimidin-2-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyridine-4-carboxamide is sourced from PubChem (CID 124780733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).